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101650-17-3 | Butanoic acid, 2-amino-4-bromo-, methyl ester, (2S)-
CAS No: 101650-17-3 Catalog No: AG00051E MDL No:
Product Description
Catalog Number:
AG00051E
Chemical Name:
Butanoic acid, 2-amino-4-bromo-, methyl ester, (2S)-
CAS Number:
101650-17-3
Molecular Formula:
C5H10BrNO2
Molecular Weight:
196.0424
IUPAC Name:
methyl (2S)-2-amino-4-bromobutanoate
InChI:
InChI=1S/C5H10BrNO2/c1-9-5(8)4(7)2-3-6/h4H,2-3,7H2,1H3/t4-/m0/s1
InChI Key:
HKPGHQPOZUTBJI-BYPYZUCNSA-N
SMILES:
COC(=O)[C@H](CCBr)N
Properties
Complexity:
97
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.989g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.044g/mol
Monoisotopic Mass:
194.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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